ChemSpider 2D Image | terpendole K | C32H39NO5

terpendole K

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID8273617

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-Tetramethyl-3-(2-methyl-1-propen-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6 ,7]indeno[1,2-b]indol-5b-ol [German] [ACD/IUPAC Name]
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-Tetramethyl-3-(2-methyl-1-propen-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6 ,7]indeno[1,2-b]indol-5b-ol [ACD/IUPAC Name]
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-Tétraméthyl-3-(2-méthyl-1-propén-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodécahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxiréno[4',4a']chroméno[5',6':6 ,7]indéno[1,2-b]indol-5b-ol [French] [ACD/IUPAC Name]
5bH-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol, 1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-1,1,13b,13c-tetramethyl-3-(2-methyl-1-propen-1-yl)-, (3S ,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)- [ACD/Index Name]
terpendole K
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6
(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol
,7]indeno[1,2-b]indol-5b-ol
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.8±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37777.43
ACD/KOC (pH 5.5): 65760.70
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37777.43
ACD/KOC (pH 7.4): 65760.70
Polar Surface Area: 76 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

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